1-[(Pyridin-2-ylamino)methyl]naphthalen-2-ol

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Basic information

CAS: 312939-53-0
Standard SMILES: Oc1ccc2ccccc2c1CNc1ccccn1
InChIKey: BTNMASYOYBGEOO-UHFFFAOYSA-N
Molecular formula: C16H14N2O
Average molar mass: 250.29 g/mol
Monoisotopic mass: 250.11061307

Names & identifiers

Preferred name: 1-[(Pyridin-2-ylamino)methyl]naphthalen-2-ol
IUPAC: 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol

Names & synonyms

1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol312939-53-0MLS001173327SMR0005389561-((pyridin-2-ylamino)methyl)naphthalen-2-olOprea1_077753cid_759948CHEMBL1568444BDBM78974DTXSID901333396HMS2867M20STK744699

Show more names

AKOS0055276631-[(2-pyridylamino)methyl]-2-naphtholEU-00054701-[(2-pyridinylamino)methyl]-2-naphthalenol1-{[(Pyridin-2-yl)amino]methyl}naphthalen-2-olSR-01000438454SR-01000438454-1Z56793370

Database identifiers

CAS: 312939-53-0
PubChem CID: 759948
DTXSID: DTXSID901333396
ChEMBL: CHEMBL1568444

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 45.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 284

Experimental & physicochemical properties

Solubility9.4 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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